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MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories.

Peter SchmidtkeAxel Bidon-ChanalF. Javier LuqueXavier Barril
Published in: Bioinform. (2011)
Keyphrases
  • molecular dynamics
  • open source
  • data processing
  • scientific data
  • molecular dynamics simulations
  • computer vision
  • high performance computing
  • databases
  • data analysis